Geometry & MOs

Info

ID:	206465
PubChem CID:	80255540
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-158.92
Dipole, Da:	3.42
IP(EA), eV:	-9.48(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxolan-3-yl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea

Drug info:

PubChemData

Smile

CCCN(CC(=O)OC)C(=O)NC1CCCC1

DOS

IR

Vibrations